NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
568814 |
2m3u   |
17582 | cing | 2-parsed | STAR | distance | hydrogen bond | simple |
data_2m3u_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2m3u
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_2m3u 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2m3u
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2m3u "Master copy" parsed_2m3u
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2m3u
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2m3u.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2m3u 1
1 2m3u.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2m3u 1
1 2m3u.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 0 parsed_2m3u 1
1 2m3u.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2m3u 1
1 2m3u.mr . . XPLOR/CNS 5 distance NOE ambi 0 parsed_2m3u 1
1 2m3u.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2m3u 1
1 2m3u.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2m3u 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2m3u
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 "ASSIGN ( RESID 3 and name N ) ( RESID 3 and name HN ) ( RESID 1 and name O )" 1 3 1 106 parsed_2m3u 1
2 "ASSIGN ( RESID 5 and name N ) ( RESID 5 and name HN ) ( RESID 4 and name OG1 )" 2 3 2 104 parsed_2m3u 1
3 "ASSIGN ( RESID 7 and name N ) ( RESID 7 and name HN ) ( RESID 43 and name O )" 3 3 3 104 parsed_2m3u 1
4 "ASSIGN ( RESID 8 and name N ) ( RESID 8 and name HN ) ( RESID 23 and name O )" 4 3 4 104 parsed_2m3u 1
5 "ASSIGN ( RESID 9 and name N ) ( RESID 9 and name HN ) ( RESID 41 and name O )" 6 3 6 104 parsed_2m3u 1
6 "ASSIGN ( RESID 11 and name N ) ( RESID 11 and name HN ) ( RESID 39 and name O )" 11 3 11 104 parsed_2m3u 1
7 "ASSIGN ( RESID 12 and name N ) ( RESID 12 and name HN ) ( RESID 19 and name O )" 14 3 14 104 parsed_2m3u 1
8 "ASSIGN ( RESID 13 and name N ) ( RESID 13 and name HN ) ( RESID 17 and name O )" 15 3 15 104 parsed_2m3u 1
9 "ASSIGN ( RESID 15 and name N ) ( RESID 15 and name HN ) ( RESID 39 and name OG )" 16 3 16 105 parsed_2m3u 1
10 "ASSIGN ( RESID 146 and name N ) ( RESID 146 and name HN ) ( RESID 142 and name O )" 19 3 19 104 parsed_2m3u 1
11 "ASSIGN ( RESID 22 and name N ) ( RESID 22 and name HN ) ( RESID 9 and name OG1 )" 21 3 21 104 parsed_2m3u 1
12 "ASSIGN ( RESID 23 and name N ) ( RESID 23 and name HN ) ( RESID 8 and name O )" 22 3 22 104 parsed_2m3u 1
13 "ASSIGN ( RESID 32 and name N ) ( RESID 32 and name HN ) ( RESID 29 and name O )" 26 3 26 104 parsed_2m3u 1
14 "ASSIGN ( RESID 34 and name N ) ( RESID 34 and name HN ) ( RESID 31 and name O )" 29 3 29 104 parsed_2m3u 1
15 "ASSIGN ( RESID 40 and name N ) ( RESID 40 and name HN ) ( RESID 67 and name O )" 30 3 30 104 parsed_2m3u 1
16 "ASSIGN ( RESID 41 and name N ) ( RESID 41 and name HN ) ( RESID 9 and name O )" 31 3 31 104 parsed_2m3u 1
17 "ASSIGN ( RESID 42 and name N ) ( RESID 42 and name HN ) ( RESID 65 and name O )" 32 3 32 104 parsed_2m3u 1
18 "ASSIGN ( RESID 46 and name N ) ( RESID 46 and name HN ) ( RESID 86 and name O )" 33 3 33 104 parsed_2m3u 1
19 "ASSIGN ( RESID 47 and name N ) ( RESID 47 and name HN ) ( RESID 62 and name O )" 34 3 34 104 parsed_2m3u 1
20 "ASSIGN ( RESID 48 and name N ) ( RESID 48 and name HN ) ( RESID 84 and name O )" 35 3 35 104 parsed_2m3u 1
21 "ASSIGN ( RESID 49 and name N ) ( RESID 49 and name HN ) ( RESID 60 and name O )" 36 3 36 104 parsed_2m3u 1
22 "ASSIGN ( RESID 50 and name N ) ( RESID 50 and name HN ) ( RESID 82 and name O )" 37 3 37 104 parsed_2m3u 1
23 "ASSIGN ( RESID 52 and name N ) ( RESID 52 and name HN ) ( RESID 56 and name O )" 38 3 38 104 parsed_2m3u 1
24 "ASSIGN ( RESID 54 and name N ) ( RESID 54 and name HN ) ( RESID 28 and name O )" 39 3 39 104 parsed_2m3u 1
25 "ASSIGN ( RESID 56 and name N ) ( RESID 56 and name HN ) ( RESID 52 and name O )" 40 3 40 104 parsed_2m3u 1
26 "ASSIGN ( RESID 58 and name N ) ( RESID 58 and name HN ) ( RESID 51 and name OE1 )" 41 3 41 104 parsed_2m3u 1
27 "ASSIGN ( RESID 61 and name N ) ( RESID 61 and name HN ) ( RESID 149 and name OE1 )" 42 3 42 104 parsed_2m3u 1
28 "ASSIGN ( RESID 64 and name N ) ( RESID 64 and name HN ) ( RESID 45 and name O )" 43 3 43 104 parsed_2m3u 1
29 "ASSIGN ( RESID 65 and name N ) ( RESID 65 and name HN ) ( RESID 42 and name O )" 44 3 44 104 parsed_2m3u 1
30 "ASSIGN ( RESID 67 and name N ) ( RESID 67 and name HN ) ( RESID 40 and name O )" 45 3 45 104 parsed_2m3u 1
31 "ASSIGN ( RESID 70 and name N ) ( RESID 70 and name HN ) ( RESID 38 and name O )" 46 3 46 104 parsed_2m3u 1
32 "ASSIGN ( RESID 77 and name N ) ( RESID 77 and name HN ) ( RESID 60 and name OH )" 48 3 48 104 parsed_2m3u 1
33 "ASSIGN ( RESID 78 and name N ) ( RESID 78 and name HN ) ( RESID 51 and name OE2 )" 49 3 49 104 parsed_2m3u 1
34 "ASSIGN ( RESID 79 and name N ) ( RESID 79 and name HN ) ( RESID 77 and name OD1 )" 51 3 51 104 parsed_2m3u 1
35 "ASSIGN ( RESID 128 and name N ) ( RESID 128 and name HN ) ( RESID 99 and name O )" 52 3 52 104 parsed_2m3u 1
36 "ASSIGN ( RESID 81 and name N ) ( RESID 81 and name HN ) ( RESID 50 and name O )" 54 3 54 104 parsed_2m3u 1
37 "ASSIGN ( RESID 82 and name N ) ( RESID 82 and name HN ) ( RESID 50 and name O )" 55 3 55 104 parsed_2m3u 1
38 "ASSIGN ( RESID 83 and name N ) ( RESID 83 and name HN ) ( RESID 27 and name O )" 57 3 57 104 parsed_2m3u 1
39 "ASSIGN ( RESID 144 and name N ) ( RESID 144 and name HN ) ( RESID 116 and name O )" 58 3 58 104 parsed_2m3u 1
40 "ASSIGN ( RESID 85 and name N ) ( RESID 85 and name HN ) ( RESID 26 and name OD1 )" 60 3 60 104 parsed_2m3u 1
41 "ASSIGN ( RESID 86 and name N ) ( RESID 86 and name HN ) ( RESID 46 and name O )" 61 3 61 104 parsed_2m3u 1
42 "ASSIGN ( RESID 93 and name N ) ( RESID 93 and name HN ) ( RESID 134 and name OE1 )" 62 3 62 104 parsed_2m3u 1
43 "ASSIGN ( RESID 94 and name N ) ( RESID 94 and name HN ) ( RESID 134 and name OE2 )" 64 3 64 104 parsed_2m3u 1
44 "ASSIGN ( RESID 96 and name N ) ( RESID 96 and name HN ) ( RESID 111 and name O )" 67 3 67 104 parsed_2m3u 1
45 "ASSIGN ( RESID 99 and name N ) ( RESID 99 and name HN ) ( RESID 129 and name O )" 68 3 68 104 parsed_2m3u 1
46 "ASSIGN ( RESID 101 and name N ) ( RESID 101 and name HN ) ( RESID 105 and name O )" 69 3 69 104 parsed_2m3u 1
47 "ASSIGN ( RESID 105 and name N ) ( RESID 105 and name HN ) ( RESID 101 and name O )" 70 3 70 104 parsed_2m3u 1
48 "ASSIGN ( RESID 107 and name N ) ( RESID 107 and name HN ) ( RESID 100 and name OE1 )" 71 3 71 104 parsed_2m3u 1
49 "ASSIGN ( RESID 108 and name N ) ( RESID 108 and name HN ) ( RESID 107 and name OE1 )" 72 3 72 104 parsed_2m3u 1
50 "ASSIGN ( RESID 109 and name N ) ( RESID 109 and name HN ) ( RESID 98 and name O )" 73 3 73 104 parsed_2m3u 1
51 "ASSIGN ( RESID 111 and name N ) ( RESID 111 and name HN ) ( RESID 96 and name O )" 75 3 75 104 parsed_2m3u 1
52 "ASSIGN ( RESID 125 and name N ) ( RESID 125 and name HN ) ( RESID 126 and name OE2 )" 76 3 76 104 parsed_2m3u 1
53 "ASSIGN ( RESID 112 and name N ) ( RESID 112 and name HN ) ( RESID 94 and name O )" 78 3 78 104 parsed_2m3u 1
54 "ASSIGN ( RESID 175 and name N ) ( RESID 175 and name HN ) ( RESID 114 and name OD1 )" 81 3 81 104 parsed_2m3u 1
55 "ASSIGN ( RESID 115 and name N ) ( RESID 115 and name HN ) ( RESID 173 and name O )" 83 3 83 104 parsed_2m3u 1
56 "ASSIGN ( RESID 118 and name N ) ( RESID 118 and name HN ) ( RESID 172 and name OG )" 84 3 84 104 parsed_2m3u 1
57 "ASSIGN ( RESID 121 and name N ) ( RESID 121 and name HN ) ( RESID 117 and name O )" 85 3 85 104 parsed_2m3u 1
58 "ASSIGN ( RESID 124 and name N ) ( RESID 124 and name HN ) ( RESID 118 and name O )" 86 3 86 104 parsed_2m3u 1
59 "ASSIGN ( RESID 130 and name N ) ( RESID 130 and name HN ) ( RESID 157 and name O )" 88 3 88 104 parsed_2m3u 1
60 "ASSIGN ( RESID 140 and name N ) ( RESID 140 and name HN ) ( RESID 172 and name O )" 89 3 89 104 parsed_2m3u 1
61 "ASSIGN ( RESID 142 and name N ) ( RESID 142 and name HN ) ( RESID 146 and name O )" 90 3 90 104 parsed_2m3u 1
62 "ASSIGN ( RESID 145 and name N ) ( RESID 145 and name HN ) ( RESID 142 and name O )" 91 3 91 104 parsed_2m3u 1
63 "ASSIGN ( RESID 148 and name N ) ( RESID 148 and name HN ) ( RESID 60 and name OH )" 92 3 92 104 parsed_2m3u 1
64 "ASSIGN ( RESID 151 and name N ) ( RESID 151 and name HN ) ( RESID 59 and name SD )" 93 3 93 104 parsed_2m3u 1
65 "ASSIGN ( RESID 159 and name N ) ( RESID 159 and name HN ) ( RESID 162 and name OD1 )" 94 3 94 104 parsed_2m3u 1
66 "ASSIGN ( RESID 162 and name N ) ( RESID 162 and name HN ) ( RESID 159 and name O )" 96 3 96 104 parsed_2m3u 1
67 "ASSIGN ( RESID 164 and name N ) ( RESID 164 and name HN ) ( RESID 161 and name O )" 97 3 97 104 parsed_2m3u 1
68 "ASSIGN ( RESID 166 and name N ) ( RESID 166 and name HN ) ( RESID 150 and name OH )" 98 3 98 104 parsed_2m3u 1
69 "ASSIGN ( RESID 167 and name N ) ( RESID 167 and name HN ) ( RESID 150 and name OH )" 99 3 99 104 parsed_2m3u 1
70 "ASSIGN ( RESID 169 and name N ) ( RESID 169 and name HN ) ( RESID 167 and name O )" 100 3 100 104 parsed_2m3u 1
71 "ASSIGN ( RESID 170 and name N ) ( RESID 170 and name HN ) ( RESID 125 and name O )" 101 3 101 104 parsed_2m3u 1
72 "ASSIGN ( RESID 172 and name N ) ( RESID 172 and name HN ) ( RESID 143 and name O )" 103 3 103 104 parsed_2m3u 1
73 "ASSIGN ( RESID 173 and name N ) ( RESID 173 and name HN ) ( RESID 115 and name O )" 104 3 104 104 parsed_2m3u 1
74 "ASSIGN ( RESID 174 and name N ) ( RESID 174 and name HN ) ( RESID 138 and name O )" 105 3 105 104 parsed_2m3u 1
75 "ASSIGN ( RESID 176 and name N ) ( RESID 176 and name HN ) ( RESID 136 and name O )" 106 3 106 104 parsed_2m3u 1
76 "ASSIGN ( RESID 178 and name N ) ( RESID 178 and name HN ) ( RESID 89 and name O )" 107 3 107 104 parsed_2m3u 1
77 "ASSIGN ( RESID 21 and name N ) ( RESID 21 and name HN ) ( RESID 9 and name OG1 )" 110 3 110 104 parsed_2m3u 1
78 "ASSIGN ( RESID 27 and name N ) ( RESID 27 and name HN ) ( RESID 83 and name O )" 111 3 111 104 parsed_2m3u 1
79 "ASSIGN ( RESID 33 and name N ) ( RESID 33 and name HN ) ( RESID 30 and name O )" 112 3 112 104 parsed_2m3u 1
80 "ASSIGN ( RESID 39 and name N ) ( RESID 39 and name HN ) ( RESID 37 and name SG )" 113 3 113 104 parsed_2m3u 1
81 "ASSIGN ( RESID 51 and name N ) ( RESID 51 and name HN ) ( RESID 58 and name O )" 114 3 114 104 parsed_2m3u 1
82 "ASSIGN ( RESID 104 and name N ) ( RESID 104 and name HN ) ( RESID 101 and name O )" 116 3 116 104 parsed_2m3u 1
83 "ASSIGN ( RESID 141 and name N ) ( RESID 141 and name HN ) ( RESID 148 and name O )" 118 3 118 104 parsed_2m3u 1
84 "ASSIGN ( RESID 14 and name N ) ( RESID 14 and name HN ) ( RESID 13 and name OD1 )" 121 3 121 104 parsed_2m3u 1
85 "ASSIGN ( RESID 35 and name N ) ( RESID 35 and name HN ) ( RESID 12 and name OE1 )" 122 3 122 104 parsed_2m3u 1
86 "ASSIGN ( RESID 62 and name N ) ( RESID 62 and name HN ) ( RESID 47 and name O )" 123 3 123 104 parsed_2m3u 1
87 "ASSIGN ( RESID 110 and name N ) ( RESID 110 and name HN ) ( RESID 110 and name OE1 )" 124 3 124 104 parsed_2m3u 1
88 "ASSIGN ( RESID 117 and name N ) ( RESID 117 and name HN ) ( RESID 120 and name OE1 )" 125 3 125 104 parsed_2m3u 1
89 "ASSIGN ( RESID 129 and name N ) ( RESID 129 and name HN ) ( RESID 99 and name O )" 126 3 126 104 parsed_2m3u 1
90 "ASSIGN ( RESID 165 and name N ) ( RESID 165 and name HN ) ( RESID 160 and name O )" 127 3 127 104 parsed_2m3u 1
stop_
save_
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